imidazo[4,5-e]indazole

C8H4N4 — CID 67169610

IUPACimidazo[4,5-e]indazole
SMILESC1=NN=c2ccc3c(c21)N=CN=3
InChIInChI=1S/C8H4N4/c1-2-7-8(10-4-9-7)5-3-11-12-6(1)5/h1-4H
InChIKeyPTFYQSWHBLOXRZ-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.05
Rot. Bonds

About imidazo[4,5-e]indazole

imidazo[4,5-e]indazole (PubChem CID 67169610) has the molecular formula C8H4N4 and a molecular weight of 156.15 g/mol. Its IUPAC name is imidazo[4,5-e]indazole.

Molecular Properties

Compound Nameimidazo[4,5-e]indazole
PubChem CID67169610
Molecular FormulaC8H4N4
Molecular Weight156.15 g/mol
Exact Mass156.04
IUPAC Nameimidazo[4,5-e]indazole
SMILESC1=NN=c2ccc3c(c21)N=CN=3
InChIInChI=1S/C8H4N4/c1-2-7-8(10-4-9-7)5-3-11-12-6(1)5/h1-4H
InChIKeyPTFYQSWHBLOXRZ-UHFFFAOYSA-N
XLogP-0.05
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of imidazo[4,5-e]indazole?
The IUPAC name of imidazo[4,5-e]indazole (CID 67169610) is imidazo[4,5-e]indazole.
What is the SMILES notation for imidazo[4,5-e]indazole?
The canonical SMILES for imidazo[4,5-e]indazole is C1=NN=c2ccc3c(c21)N=CN=3.
What is the InChIKey of imidazo[4,5-e]indazole?
The InChIKey is PTFYQSWHBLOXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4/c1-2-7-8(10-4-9-7)5-3-11-12-6(1)5/h1-4H.
What are the key properties of imidazo[4,5-e]indazole?
imidazo[4,5-e]indazole has a molecular weight of 156.15 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[4,5-e]indazole is sourced from PubChem (CID 67169610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).